N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine

C14H26N2S — CID 54946840

IUPACN'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
SMILESCC(C)N(CCCCCCN)Cc1cccs1
InChIInChI=1S/C14H26N2S/c1-13(2)16(10-6-4-3-5-9-15)12-14-8-7-11-17-14/h7-8,11,13H,3-6,9-10,12,15H2,1-2H3
InChIKeyYYXZAFKDLFMKBM-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.48
Rot. Bonds9

About N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine

N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine (PubChem CID 54946840) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
PubChem CID54946840
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
SMILESCC(C)N(CCCCCCN)Cc1cccs1
InChIInChI=1S/C14H26N2S/c1-13(2)16(10-6-4-3-5-9-15)12-14-8-7-11-17-14/h7-8,11,13H,3-6,9-10,12,15H2,1-2H3
InChIKeyYYXZAFKDLFMKBM-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
10-thiophen-2-yldecan-1-amine
CID 22115195
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine?
The IUPAC name of N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine (CID 54946840) is N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine?
The canonical SMILES for N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine is CC(C)N(CCCCCCN)Cc1cccs1.
What is the InChIKey of N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine?
The InChIKey is YYXZAFKDLFMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-13(2)16(10-6-4-3-5-9-15)12-14-8-7-11-17-14/h7-8,11,13H,3-6,9-10,12,15H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine?
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine is sourced from PubChem (CID 54946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).